@MOLECULE hymeniacidin 30 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.0198 -2.5543 0.1499 O.2 1 UNL1 -0.4758 2 O 3.4969 0.3588 -0.2167 O.2 1 UNL1 -0.5057 3 O -3.8471 -0.3881 -1.0318 O.2 1 UNL1 -0.5334 4 N 1.3948 1.2350 -0.0912 N.ar 1 UNL1 -0.4853 5 N 1.7613 -1.1248 0.0019 N.ar 1 UNL1 -0.5191 6 N -1.8977 -0.4496 0.1111 N.am 1 UNL1 -0.4062 7 N -0.7932 2.1926 -0.0002 N.pl3 1 UNL1 -0.5099 8 C 0.0157 1.0588 0.0376 C.ar 1 UNL1 0.4282 9 C -0.5023 -0.2288 0.0741 C.ar 1 UNL1 -0.2397 10 C 0.3667 -1.3980 0.0786 C.ar 1 UNL1 0.6053 11 C 2.3063 0.1463 -0.1131 C.ar 1 UNL1 0.6999 12 C 1.9825 2.5744 -0.2191 C.3 1 UNL1 -0.2364 13 C 2.7246 -2.2380 -0.0022 C.3 1 UNL1 -0.2094 14 C -2.4084 -1.3962 1.1070 C.3 1 UNL1 -0.2230 15 C -1.8314 2.3148 1.0412 C.3 1 UNL1 -0.2313 16 C -2.6630 -0.1240 -1.0020 C.2 1 UNL1 0.4738 17 H 1.6976 3.0478 -1.1747 H 1 UNL1 0.1522 18 H 3.0945 2.5117 -0.2132 H 1 UNL1 0.1996 19 H 1.6998 3.2167 0.6323 H 1 UNL1 0.1476 20 H -0.3706 3.0717 -0.2640 H 1 UNL1 0.2986 21 H 3.3116 -2.2348 -0.9389 H 1 UNL1 0.1567 22 H 2.1917 -3.2022 0.0803 H 1 UNL1 0.1804 23 H 3.4254 -2.1425 0.8466 H 1 UNL1 0.1553 24 H -2.2593 -2.4463 0.7789 H 1 UNL1 0.1640 25 H -3.4930 -1.2296 1.2471 H 1 UNL1 0.1634 26 H -1.8918 -1.2652 2.0707 H 1 UNL1 0.1404 27 H -1.9227 3.3634 1.3788 H 1 UNL1 0.1393 28 H -1.6332 1.6724 1.9199 H 1 UNL1 0.1591 29 H -2.8066 1.9956 0.6235 H 1 UNL1 0.1749 30 H -2.1525 0.4497 -1.7879 H 1 UNL1 0.1366 @BOND 1 30 16 1 2 17 12 1 3 3 16 2 4 16 6 am 5 21 13 1 6 20 7 1 7 12 18 1 8 12 4 1 9 12 19 1 10 2 11 2 11 11 4 ar 12 11 5 ar 13 4 8 ar 14 13 5 1 15 13 22 1 16 13 23 1 17 7 8 1 18 7 15 1 19 5 10 ar 20 8 9 ar 21 9 10 ar 22 9 6 1 23 10 1 2 24 6 14 1 25 29 15 1 26 24 14 1 27 15 27 1 28 15 28 1 29 14 25 1 30 14 26 1